Wanda Andreoni, Alessandro Curioni, et al.
International Journal of Quantum Chemistry
The density functional theory and molecular dynamics (DFT-MD) method and of a CMPD parallel code is presented based on a plane wave scheme. Its power is shown through the survey of specific applications to diverse frontier areas of chemistry and materials science that make use of parallel computing.
Wanda Andreoni, Alessandro Curioni, et al.
International Journal of Quantum Chemistry
Guojing Cong, David A. Bader
Journal of Parallel and Distributed Computing
Ran Iwamoto, Kyoko Ohara
ICLC 2023
Susan L. Spraragen
International Conference on Design and Emotion 2010